Geometry & MOs

Info

ID:	422240
PubChem CID:	135117475
Reduced:	OSN2C21H28 (1)
Stoich.:	ABC2D21E28 (1)
Weight, g/mol:	303.149538
ΔH_f, kcal/mol:	-23.18
Dipole, Da:	2.86
IP(EA), eV:	-8.72(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2(CCN(CC2)CC3=CC=C(S3)C4CCCC4)O

DOS

IR

Vibrations